7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one

C22H25ClN4O2 — CID 118730666

IUPAC7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C22H25ClN4O2/c23-19-14-24-13-18(16-1-3-17(4-2-16)26-9-11-29-12-10-26)20(19)27-8-6-22(15-27)5-7-25-21(22)28/h1-4,13-14H,5-12,15H2,(H,25,28)
InChIKeyYUSIPEXCXXFJCV-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.95
Rot. Bonds3

About 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one

7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118730666) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118730666
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C22H25ClN4O2/c23-19-14-24-13-18(16-1-3-17(4-2-16)26-9-11-29-12-10-26)20(19)27-8-6-22(15-27)5-7-25-21(22)28/h1-4,13-14H,5-12,15H2,(H,25,28)
InChIKeyYUSIPEXCXXFJCV-UHFFFAOYSA-N
XLogP2.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

Cct251545
CID 77050682
8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
1-[3-Chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
CID 45275784
8-[3-Chloro-5-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395096
8-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118407980
8-(3-Chloro-5-(4-(4-methylpiperazin-1-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928418
8-(3-Chloro-5-(4-morpholinophenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928421
1-[3-Chloro-5-(3-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730659
1-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730660
1-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide
CID 118730662
8-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 118730663
8-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 118730664

Frequently Asked Questions

What is the IUPAC name of 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 118730666) is 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YUSIPEXCXXFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-19-14-24-13-18(16-1-3-17(4-2-16)26-9-11-29-12-10-26)20(19)27-8-6-22(15-27)5-7-25-21(22)28/h1-4,13-14H,5-12,15H2,(H,25,28).
What are the key properties of 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one?
7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 412.92 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118730666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).